2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-(carboxymethyl)amino]acetic acid Formula: C18H23N3O12 MolecularWeight: 473.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N3O12/c1-32-13-3-10(11(21(30)31)4-14(13)33-2)12(20(8-17(26)27)9-18(28)29)5-19(6-15(22)23)7-16(24)25/h3-4,12H,5-9H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)